Geometry & MOs

Info

ID:	285968
PubChem CID:	104142555
Reduced:	Cl2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	306.161125
ΔH_f, kcal/mol:	26.8
Dipole, Da:	2.21
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyridine

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=CC(=CC(=N2)C(C)(C)C)CCl

DOS

IR

Vibrations